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fructose-2,6-bisphosphate, 7TMS
SpectraBase Compound ID KeYMxkdy92M
InChI InChI=1S/C27H70O12P2Si7/c1-42(2,3)31-23-27(35-41(29,38-47(16,17)18)39-48(19,20)21)26(34-44(7,8)9)25(33-43(4,5)6)24(32-27)22-30-40(28,36-45(10,11)12)37-46(13,14)15/h24-26H,22-23H2,1-21H3/t24-,25-,26+,27+/m1/s1
InChIKey KJLOSMBHNVUVPH-XDZXDJIYSA-N
Mol Weight 845.4 g/mol
Molecular Formula C27H70O12P2Si7
Exact Mass 844.272737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18yin8BhZyu
Name fructose-2,6-bisphosphate, 7TMS
Comments Derivatization type: 7 TMS (mass: 844.273); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000629; Note: The molecular formula of the structure shown is C6H14O12P2 - which differs from the formula reported for the mass spectrum (C27H70O12P2Si7)
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Formula C27H70O12P2Si7
InChI InChI=1S/C27H70O12P2Si7/c1-42(2,3)31-23-27(35-41(29,38-47(16,17)18)39-48(19,20)21)26(34-44(7,8)9)25(33-43(4,5)6)24(32-27)22-30-40(28,36-45(10,11)12)37-46(13,14)15/h24-26H,22-23H2,1-21H3/t24-,25-,26+,27+/m1/s1
InChIKey KJLOSMBHNVUVPH-XDZXDJIYSA-N
Molecular Weight 845.388 g/mol
SMILES C([C@@]1([C@]([C@@]([C@@](CO[Si](C)(C)C)(O1)OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])OP(O[Si](C)(C)C)(O[Si](C)(C)C)=O
SPLASH splash10-01dj-0963000000-090736f476a618727455
Source of Spectrum FM-2019-629-0
Synonyms Fructose-2,6-diphosphate, 7TMS Fructose 2,6-biphosphate, 7TMS Fructose 2,6-diphosphate, 7TMS D-Fructose 2,6-bisphosphate, 7TMS Fructose 2,6-bisphosphate, 7TMS Phosphofructokinase activator, 7TMS [(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate, 7TMS ((2R,3R,4S,5S)-5-((bis((trimethylsilyl)oxy)phosphoryl)oxy)-3,4-bis((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)methyl bis(trimethylsilyl) phosphate
Wiley ID 1818310